cell_volume         :real:0:
  0.107869349241422E+004
orbital_charges     :real:2:4,8
  0.150551415174758E+001  0.832806970919263E+000  0.836919042265955E+000
  0.827673452563734E+000  0.148905784184037E+001  0.829658066494302E+000
  0.834046170383160E+000  0.827932416449913E+000  0.146424129458128E+001
  0.825372061660153E+000  0.831131655637952E+000  0.830680828749462E+000
  0.148301176453688E+001  0.828025317245673E+000  0.833595718548856E+000
  0.829507302933327E+000  0.150163078962216E+001  0.833611443798414E+000
  0.827949088170970E+000  0.836645262175148E+000  0.151358347236260E+001
  0.836400373253525E+000  0.831078704732060E+000  0.835665893391952E+000
  0.153694324420924E+001  0.838306145958947E+000  0.835535365430035E+000
  0.835687364047137E+000  0.152192518705103E+001  0.836153177071524E+000
  0.832445718188477E+000  0.837264713978937E+000
forces              :real:2:3,8
 -0.674845474418076E-003 -0.152553598859535E-002 -0.212786915764680E-001
 -0.133243012003657E-001 -0.683245778986423E-002  0.296548908102299E-001
 -0.292146950904087E-002  0.147188159520660E-001 -0.110432208376683E-001
  0.128106712942625E-001 -0.541378824730891E-002  0.456395393402071E-002
  0.204379925728963E-002  0.194863806714933E-001  0.661408600050030E-002
  0.115007986989898E-001 -0.156470286757569E-001 -0.137959586187494E-001
  0.914758474598035E-002  0.599996093436091E-002  0.768676581640471E-002
 -0.185822378126977E-001 -0.107863468563949E-001 -0.240182552826991E-002
stress              :real:2:3,3
  0.884624541110668E-004  0.241077690737975E-004 -0.539784987115882E-004
  0.241077720223010E-004  0.772074518567992E-004 -0.456070485174437E-005
 -0.539784890946591E-004 -0.456070628647178E-005  0.827274836674053E-004
mermin_energy       :real:0:
 -0.103637538484103E+002
end_coords          :real:2:3,8
 -0.347304825212149E-001  0.514837869120914E-002  0.148455574398530E+000
  0.267785113031693E+001  0.261188527014468E+001  0.236919177306805E+001
  0.519047368935237E+001  0.512031421776273E+001  0.888533835651039E-002
  0.761954162721423E+001  0.769828638414117E+001  0.260013269014162E+001
  0.507780425648790E+001 -0.715563708148370E-001  0.509593563342895E+001
  0.763968180580532E+001  0.259745139387726E+001  0.774131619042343E+001
 -0.539520796586054E-002  0.505375262218402E+001  0.506735916427820E+001
  0.260192356573663E+001  0.775186848844007E+001  0.773587402033101E+001
